1-ethenyl-3-methyl-2H-imidazole;methanesulfonic acid

C7H14N2O3S — CID 22725858

IUPAC1-ethenyl-3-methyl-2H-imidazole;methanesulfonic acid
SMILESC=CN1C=CN(C)C1.CS(=O)(=O)O
InChIInChI=1S/C6H10N2.CH4O3S/c1-3-8-5-4-7(2)6-8;1-5(2,3)4/h3-5H,1,6H2,2H3;1H3,(H,2,3,4)
InChIKeyGAVXSPYIBXNXFC-UHFFFAOYSA-N
MW206.27 g/mol
LogP0.31
Rot. Bonds1

About 1-ethenyl-3-methyl-2H-imidazole;methanesulfonic acid

1-ethenyl-3-methyl-2H-imidazole;methanesulfonic acid (PubChem CID 22725858) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-ethenyl-3-methyl-2H-imidazole;methanesulfonic acid.

Molecular Properties

Compound Name1-ethenyl-3-methyl-2H-imidazole;methanesulfonic acid
PubChem CID22725858
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name1-ethenyl-3-methyl-2H-imidazole;methanesulfonic acid
SMILESC=CN1C=CN(C)C1.CS(=O)(=O)O
InChIInChI=1S/C6H10N2.CH4O3S/c1-3-8-5-4-7(2)6-8;1-5(2,3)4/h3-5H,1,6H2,2H3;1H3,(H,2,3,4)
InChIKeyGAVXSPYIBXNXFC-UHFFFAOYSA-N
XLogP0.31
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-methyl-2H-imidazole;methanesulfonic acid?
The IUPAC name of 1-ethenyl-3-methyl-2H-imidazole;methanesulfonic acid (CID 22725858) is 1-ethenyl-3-methyl-2H-imidazole;methanesulfonic acid.
What is the SMILES notation for 1-ethenyl-3-methyl-2H-imidazole;methanesulfonic acid?
The canonical SMILES for 1-ethenyl-3-methyl-2H-imidazole;methanesulfonic acid is C=CN1C=CN(C)C1.CS(=O)(=O)O.
What is the InChIKey of 1-ethenyl-3-methyl-2H-imidazole;methanesulfonic acid?
The InChIKey is GAVXSPYIBXNXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.CH4O3S/c1-3-8-5-4-7(2)6-8;1-5(2,3)4/h3-5H,1,6H2,2H3;1H3,(H,2,3,4).
What are the key properties of 1-ethenyl-3-methyl-2H-imidazole;methanesulfonic acid?
1-ethenyl-3-methyl-2H-imidazole;methanesulfonic acid has a molecular weight of 206.27 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methyl-2H-imidazole;methanesulfonic acid is sourced from PubChem (CID 22725858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).